N-(diphenylmethyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(diphenylmethyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-benzhydryl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(diphenylmethyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-benzhydryl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-benzhydryl-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C26H29FN3O3S+ MolecularWeight: 482.590163

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28FN3O3S/c27-23-12-14-24(15-13-23)34(32,33)30-17-7-16-29(18-19-30)20-25(31)28-26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-15,26H,7,16-20H2,(H,28,31)/p+1